SCHEMBL8465133

SCHEMBL8465133

COc1ccc2c(c1)C(=O)C(Cc1ccccn1)CO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.55
CYP3A4 P08684 4/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX12 P18054 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE4D Q08499 1/20 0.46
SCN9A Q15858 1/20 0.44
SYK P43405 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8465603 0.83 MAOB (0.46) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL8463991 0.82 MAOB (0.65) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL8465611 0.82 MAOB (0.55) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL14552636 0.81 CYP19A1 (0.43) CYP19A1MAPTSMN1; SMN2HPGDPDE4D
SCHEMBL8461585 0.81 PDE10A (0.50)
SCHEMBL8348183 0.81 LTB4R (0.43) CYP19A1PDE4DMAOB
SCHEMBL14480625 0.81 SCN9A (0.52) MEN1KMT2APDE4DSCN9AMAOB
SCHEMBL8466308 0.81 CYP19A1 (0.63) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL8465134 0.80 CYP3A4 (0.57) CYP19A1CYP3A4MAPTMEN1KMT2A
SCHEMBL8462441 0.79 CYP19A1 (0.65) CYP19A1CYP3A4MAPTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed